5-(4-methoxyphenyl)-3-methyl-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C19H17N3O2 — CID 56588795

IUPAC5-(4-methoxyphenyl)-3-methyl-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccccc2)cc1
InChIInChI=1S/C19H17N3O2/c1-12-16-17(21-20-12)19(23)22(14-8-10-15(24-2)11-9-14)18(16)13-6-4-3-5-7-13/h3-11,18H,1-2H3,(H,20,21)
InChIKeyDVUYRUQQTQYQIU-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.48
Rot. Bonds3

About 5-(4-methoxyphenyl)-3-methyl-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

5-(4-methoxyphenyl)-3-methyl-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 56588795) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-methyl-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-methyl-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID56588795
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name5-(4-methoxyphenyl)-3-methyl-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccccc2)cc1
InChIInChI=1S/C19H17N3O2/c1-12-16-17(21-20-12)19(23)22(14-8-10-15(24-2)11-9-14)18(16)13-6-4-3-5-7-13/h3-11,18H,1-2H3,(H,20,21)
InChIKeyDVUYRUQQTQYQIU-UHFFFAOYSA-N
XLogP3.48
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-methyl-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 5-(4-methoxyphenyl)-3-methyl-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 56588795) is 5-(4-methoxyphenyl)-3-methyl-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-methyl-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3-methyl-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-methyl-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is DVUYRUQQTQYQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-16-17(21-20-12)19(23)22(14-8-10-15(24-2)11-9-14)18(16)13-6-4-3-5-7-13/h3-11,18H,1-2H3,(H,20,21).
What are the key properties of 5-(4-methoxyphenyl)-3-methyl-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
5-(4-methoxyphenyl)-3-methyl-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 319.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-methyl-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 56588795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).